General
Preferred name
Decane-1,10-Diyl Disulfamate
Synonyms
P&D ID
PD086159
CAS
60548-61-0
Tags
drug candidate
Drug indication
Discovery agent
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
2
DrugMAP
LSP-MoA library (Laboratory of Systems Pharmacology)
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
9
Properties
(calculated by RDKit )
Molecular Weight
332.11
Hydrogen Bond Acceptors
6
Hydrogen Bond Donors
2
Rotatable Bonds
13
Ring Count
0
Aromatic Ring Count
0
cLogP
0.55
TPSA
138.78
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.47
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Source data
